Quantitative Data Processing

AnalyzerPro is fully compatible with the standard quantitation workflows as well as reporting requirements. The Quan Viewer has been optimized so that large data sets can be reviewed, checked and edited if necessary, in an extremely efficient manner to allow the user to focus on their results. This includes being able to visualize and edit calibration curves.

Figure 1. Calibration curve

It is possible to scroll through thumbnails of the chromatographic peaks to quickly identify integration results that may require modifying. The selected thumbnail is also displayed in a larger format which allows for easy drag-and-drop editing of a peak’s start and end points. The thumbnails can either show the compound, the internal standard or a combination of both. Modified quantitation results are flagged and saved with a time-stamp so that it is always possible to recognize modified results and return to the original results if necessary.

Figure 2. Quan components

The quality of the calibration data can be assessed with the retention time reproducibility displays in the Quan Viewer for both the compounds and the standards. These displays are color coded so that results can be quickly reviewed by exception.

In the example below for the pesticide 4,4-DDD, we are able to quickly determine that the first 6 samples are calibration standards and that they are all within the expected retention time window. Had any of the standards fallen outside the window, a red diamond with have been displayed instead of the green one. The two blue dots representing samples 7 and 8 indicate that these are unknown samples and in both instances contained a measurable amount of the pesticide.

Figure 3. Retention time review per component

In the case of the internal standards, we can immediately see that the retention times are running slightly earlier than expected but are still within tolerance. The red stars indicate that the responses for all the standards are lower than the user defined response limit.

Figure 4. Retention time review for each internal standard

We can visualize the responses for any of the internal standards across all the data set to ensure that the minimum and maximum responses are consistent. The average is represented by the dotted line so that you can effortlessly spot potential problems which can then be further investigated.

Figure 5. Review response factors for Internal standards

It is also possible to review the response factors for each compound, this shows the consistency of the results and is another display to assess the quality of the data.

Figure 6. Review response factors for component

The Quan viewer is a visualisation tool that allows you to quickly and easily QC your qantitation data including peaks areas and delimiters for all your Standards, QCs and Unknowns. The quantitation results can then be output using a number of reports depending on specific requirements.

Our Products

AnalyzerPro® is a productivity software application for LC-MS and GC-MS data with support for multiple vendors’ data. This comprehensive post-processing utility provides optimized workflows for sample-to-sample comparison, target component analysis, quantitation and library searching for data generated from any LC-MS and GC-MS platform. Using its proprietary algorithms to detect obscured components that existing software packages are unable to find without .....

AnalyzerPro® XD is the latest version of our productivity software application now available with support for two dimensional chromatography. Two-dimensional chromatography is a powerful analy­tical tool that has evolved from technology used mainly in the R&D laboratory to a robust commercially available soluti­on from several manufacturers. The technology continues to evolve to address challenges in the analysis of complex samples...

RemoteAnalyzer is the only open access software solution for today’s fast-paced laboratory. It is designed to operate and optimize the management of multiple locations, multiple types of analyses, multiple scientists of the entire skill set range as well as multiple instrument types from a variety of different vendors. See a case study from the University of Durham regarding their implementation. The walk-up ......

The NIST/EPA/NIH Mass Spectral Library with Search Program is the standard MS spectra reference database. This library is available with version 2.0g of the full-featured NIST MS Search Program for Windows and includes ....